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4-OH-Bz4(OH)333Ac
333Ac.png)
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / H. curta & Hololena sp. |
| Synonym | — |
| Molecular formula | C₂₂H₃₉N₅O₄ |
| CAS | — |
| SMILES | O=C(C1=C(O)C=CC(O)=C1)NCCCCN(O)CCCNCCCNCCCNC(C)=O |
| InChI | InChI=1S/C22H39N5O5/c1-18(28)25-14-5-11-23-9-4-10-24-12-6-16-27(32)15-3-2-13-26-22(31)20-17-19(29)7-8-21(20)30/h7-8,17,23-24,29-30,32H,2-6,9-16H2,1H3,(H,25,28)(H,26,31) |
| |
| Precursor 1 [M+H]⁺ | 438.30748 |
| Precursor 2 [M+2H]²⁺ | 219.65738 |
| Precursor 3 | |
| |
| HDX | 6 |
| Precursor HDX [M(D₆)+D]⁺ | 445.35142 |
| Precursor HDX 2 [M(D₆)+2D]²⁺ | 223.68249 |
| Precursor HDX 3 | |
| |
| Rt | 6.75 |
| Rt HDX | 5.35 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 192.10191 | 174.09134 | 175.07536 | 225.12337 | 100.07569 | 83.04914 | 117.10224 |
| 2 | 265.15467 | 247.14410 | 248.12812 | 282.18122 | 157.13354 | 140.10699 | 174.16009 |
| 3 | 322.21252 | 304.20195 | 305.18597 | 339.23907 | 214.19139 | 197.16484 | 247.21285 |
| 4 | 379.27037 | 361.25980 | 362.24382 | 438.30748 | 301.25980 | 284.23325 | 318.28635 |
Additional MS/MS fragments
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 438.30748 | | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 438.30748 | | Hololena sp. | Spider Pharm, USA | Y. M. Forster |
| Data | HDX | | Hololena sp. | Spider Pharm, USA | Y. M. Forster |
References
| Title | Reference | Spider | Name | Content | Link |
|---|
| Low molecular mass compounds in spider venom | Y. M. Forster, S. Bienz, L. Bigler, 2020, in preparation | div. | | | Link |
Spider species
| Spider species | Family | Discovered |
|---|
| Hololena curta | Agelenidae | 2020 / Y. M. Forster |
| Hololena sp. | Agelenidae | 2020 / Y. M. Forster |